2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid

C23H26N2O2 — CID 10428748

IUPAC2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid
SMILESCC(C)(CCCCNc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H26N2O2/c1-23(2,22(26)27)14-8-9-15-24-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)25-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZNWHTSZHVMLAEM-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.59
Rot. Bonds8

About 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid

2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid (PubChem CID 10428748) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid
PubChem CID10428748
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid
SMILESCC(C)(CCCCNc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H26N2O2/c1-23(2,22(26)27)14-8-9-15-24-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)25-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZNWHTSZHVMLAEM-UHFFFAOYSA-N
XLogP5.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid (CID 10428748) is 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid is CC(C)(CCCCNc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid?
The InChIKey is ZNWHTSZHVMLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,22(26)27)14-8-9-15-24-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)25-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid?
2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid has a molecular weight of 362.47 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 10428748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).